General Information of the Compound
| Compound ID |
CP0951450
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| Compound Name |
4-(3-((6-(Aminomethyl)pyrimidin-4-yl)oxy)benzamido)benzoic acid hydrochloride
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| Structure |
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| Formula |
C19H17ClN4O4
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| Molecular Weight |
400.822
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)Nc3ccc(C(=O)O)cc3)c2)ncn1
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| InChI |
InChI=1S/C19H16N4O4.ClH/c20-10-15-9-17(22-11-21-15)27-16-3-1-2-13(8-16)18(24)23-14-6-4-12(5-7-14)19(25)26;/h1-9,11H,10,20H2,(H,23,24)(H,25,26);1H
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| InChIKey |
YWROAOHNMSZFKF-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound